5-(phenylmethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(phenylmethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-benzyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(phenylmethyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-benzyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5S/c1-2-13-27-22(18-20-9-5-3-6-10-20)24-28(23(27)29)19-25-14-16-26(17-15-25)21-11-7-4-8-12-21/h2-12H,1,13-19H2/p+1